Structure Information
Structure

Compound Identification

SMILES

CCC1CCC2=C(C1)SC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C2C#N

InChIKey

InChIKey=TVSSQTCDBUQMCP-UHFFFAOYSA-N

Formula

C20H13F17N2OS

Mass

652.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organohalogen compounds

Class

Alkyl halides

Subclass

Alkyl fluorides

Intermediate Tree Nodes

Perfluoroalkyl carboxylic acid and derivatives

Direct Parent

Perfluorooctanoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Perfluorooctanoic acid or derivatives - N-arylamide - Fatty amide - Fatty acyl - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as perfluorooctanoic acid and derivatives. These are organic compounds containing an octyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.

External Descriptors

Not available

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